Sugi Predict

Sugi Predict / Compounds / SCHEMBL14737639

SCHEMBL14737639

SCHEMBL14737639

CC(C)(C)NC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(-c3cccc4[nH]ncc34)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 1/20 0.38
▸ PIK3R1 P27986 4/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ SYK P43405 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ METTL3 Q86U44 4/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14738145 0.83 SYK (0.37) SYKCYP2D6MAPTALOX5APFEN1
SCHEMBL14738508 0.77 SYK (0.59) SYKCYP2D6
SCHEMBL14738398 0.77 SYK (0.46) SYKCYP2D6ALOX5APFEN1
SCHEMBL14737474 0.77 LMNA (0.38) SYKMAPT
Hydrochloric Acid SCHEMBL14737982 0.77 SYK (0.58) SYKCYP2D6
SCHEMBL14744451 0.71 SYK (0.42) SYKCYP2D6
SCHEMBL1633955 0.69 JAK3 (0.48) DHPSSYKCYP2D6ROCK2ROCK1
SCHEMBL14751448 0.69 SYK (0.36) SYKCYP2D6
SCHEMBL14751578 0.68 SYK (0.39) SYK
SCHEMBL18524821 0.68 SYK (0.42) DHPSPIK3CAPRKCAFLT3GSK3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 — — EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 — — US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 — — WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DHPS 974/4885PIK3R1 147/4885PIK3CA 329/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.